[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1,4-diazepan-1-yl]-(3-methylphenyl)methanone

Systemtic Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1,4-diazepan-1-yl]-(3-methylphenyl)methanone Openeye Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1,4-diazepan-1-yl]-(m-tolyl)methanone CAS Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1,4-diazepan-1-yl]-(3-methylphenyl)methanone IUPAC Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1,4-diazepan-1-yl]-(3-methylphenyl)methanone Traditional Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1,4-diazepan-1-yl]-(m-tolyl)methanone Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCCN(CC2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCCN(CC2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H27N3O3S/c1-18-6-4-9-20(16-18)22(26)23-11-5-12-24(15-14-23)29(27,28)25-13-10-19-7-2-3-8-21(19)17-25/h2-4,6-9,16H,5,10-15,17H2,1H3