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

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(2-methoxy-4-nitro-phenyl)ethanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(2-methoxy-4-nitro-phenyl)acetamide CAS Name: 2-[4-(1-azepanylsulfonyl)-1-piperazinyl]-N-(2-methoxy-4-nitrophenyl)acetamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(2-methoxy-4-nitrophenyl)acetamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)piperazino]-N-(2-methoxy-4-nitro-phenyl)acetamide Formula: C19H29N5O6S MolecularWeight: 455.52846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CN2CCN(CC2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CN2CCN(CC2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C19H29N5O6S/c1-30-18-14-16(24(26)27)6-7-17(18)20-19(25)15-21-10-12-23(13-11-21)31(28,29)22-8-4-2-3-5-9-22/h6-7,14H,2-5,8-13,15H2,1H3,(H,20,25)