3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-[2-methyl-4-(4-methyl-1-piperazinyl)phenyl]propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-methyl-4-(4-methylpiperazino)phenyl]propionamide Formula: C27H38N4O3S MolecularWeight: 498.68062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCN(CC2)C)NC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCN(CC2)C)NC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C27H38N4O3S/c1-22-21-24(30-19-17-29(2)18-20-30)10-13-26(22)28-27(32)14-9-23-7-11-25(12-8-23)35(33,34)31-15-5-3-4-6-16-31/h7-8,10-13,21H,3-6,9,14-20H2,1-2H3,(H,28,32)