2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(4-nitrophenyl)propanamide

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(4-nitrophenyl)propanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(4-nitrophenyl)propanamide CAS Name: 2-[4-(1-azepanylsulfonyl)-1-piperazinyl]-N-(4-nitrophenyl)propanamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(4-nitrophenyl)propanamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)piperazino]-N-(4-nitrophenyl)propionamide Formula: C19H29N5O5S MolecularWeight: 439.52906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N5O5S/c1-16(19(25)20-17-6-8-18(9-7-17)24(26)27)21-12-14-23(15-13-21)30(28,29)22-10-4-2-3-5-11-22/h6-9,16H,2-5,10-15H2,1H3,(H,20,25)