2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(2-methoxy-5-nitro-phenyl)propanamide

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(2-methoxy-5-nitro-phenyl)propanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(2-methoxy-5-nitro-phenyl)propanamide CAS Name: 2-[4-(1-azepanylsulfonyl)-1-piperazinyl]-N-(2-methoxy-5-nitrophenyl)propanamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(2-methoxy-5-nitrophenyl)propanamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)piperazino]-N-(2-methoxy-5-nitro-phenyl)propionamide Formula: C20H31N5O6S MolecularWeight: 469.55504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H31N5O6S/c1-16(20(26)21-18-15-17(25(27)28)7-8-19(18)31-2)22-11-13-24(14-12-22)32(29,30)23-9-5-3-4-6-10-23/h7-8,15-16H,3-6,9-14H2,1-2H3,(H,21,26)