N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-4-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-4-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-4-(1-piperidylsulfonyl)benzamide CAS Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-4-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-4-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-4-piperidinosulfonyl-benzamide Formula: C24H31N3O5S2 MolecularWeight: 505.65004

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCCS(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCCS(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C24H31N3O5S2/c28-24(21-9-11-23(12-10-21)34(31,32)26-15-4-1-5-16-26)25-14-6-18-33(29,30)27-17-13-20-7-2-3-8-22(20)19-27/h2-3,7-12H,1,4-6,13-19H2,(H,25,28)