5-[2-azanyl-3-[4-methyl-1-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfonyl]piperidin-2-yl]-3-oxidanylidene-propyl]-3,6-dihydro-2H-pyridine-1-carboximidamide

Systemtic Name: 5-[2-azanyl-3-[4-methyl-1-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfonyl]piperidin-2-yl]-3-oxidanylidene-propyl]-3,6-dihydro-2H-pyridine-1-carboximidamide Openeye Name: 5-[2-amino-3-[4-methyl-1-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfonyl]-2-piperidyl]-3-oxo-propyl]-3,6-dihydro-2H-pyridine-1-carboxamidine CAS Name: 5-[2-amino-3-[4-methyl-1-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfonyl]-2-piperidinyl]-3-oxopropyl]-3,6-dihydro-2H-pyridine-1-carboximidamide IUPAC Name: 5-[2-amino-3-[4-methyl-1-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfonyl]piperidin-2-yl]-3-oxopropyl]-3,6-dihydro-2H-pyridine-1-carboximidamide Traditional Name: 5-[2-amino-3-keto-3-[4-methyl-1-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfonyl]-2-piperidyl]propyl]-3,6-dihydro-2H-pyridine-1-carboxamidine Formula: C25H38N6O3S MolecularWeight: 502.67262

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C(C1)C(=O)C(CC2=CCCN(C2)C(=N)N)N)S(=O)(=O)C3=CC4=C(CCN(C4)C)C=C3

Isomeric SMILES

CC1CCN(C(C1)C(=O)C(CC2=CCCN(C2)C(=N)N)N)S(=O)(=O)C3=CC4=C(CCN(C4)C)C=C3

InChI

InChI=1S/C25H38N6O3S/c1-17-7-11-31(35(33,34)21-6-5-19-8-10-29(2)16-20(19)14-21)23(12-17)24(32)22(26)13-18-4-3-9-30(15-18)25(27)28/h4-6,14,17,22-23H,3,7-13,15-16,26H2,1-2H3,(H3,27,28)