[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2,5-dimethyl-1H-pyrrol-3-yl]-piperidin-1-yl-methanone

Systemtic Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2,5-dimethyl-1H-pyrrol-3-yl]-piperidin-1-yl-methanone Openeye Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2,5-dimethyl-1H-pyrrol-3-yl]-(1-piperidyl)methanone CAS Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2,5-dimethyl-1H-pyrrol-3-yl]-(1-piperidinyl)methanone IUPAC Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2,5-dimethyl-1H-pyrrol-3-yl]-piperidin-1-ylmethanone Traditional Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2,5-dimethyl-1H-pyrrol-3-yl]-piperidino-methanone Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1)C)S(=O)(=O)N2CCC3=CC=CC=C3C2)C(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C(=C(N1)C)S(=O)(=O)N2CCC3=CC=CC=C3C2)C(=O)N4CCCCC4

InChI

InChI=1S/C21H27N3O3S/c1-15-19(21(25)23-11-6-3-7-12-23)20(16(2)22-15)28(26,27)24-13-10-17-8-4-5-9-18(17)14-24/h4-5,8-9,22H,3,6-7,10-14H2,1-2H3