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

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(2-chloranyl-4-nitro-phenyl)propanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(2-chloro-4-nitro-phenyl)propanamide CAS Name: 2-[4-(1-azepanylsulfonyl)-1-piperazinyl]-N-(2-chloro-4-nitrophenyl)propanamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(2-chloro-4-nitrophenyl)propanamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)piperazino]-N-(2-chloro-4-nitro-phenyl)propionamide Formula: C19H28ClN5O5S MolecularWeight: 473.97412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28ClN5O5S/c1-15(19(26)21-18-7-6-16(25(27)28)14-17(18)20)22-10-12-24(13-11-22)31(29,30)23-8-4-2-3-5-9-23/h6-7,14-15H,2-5,8-13H2,1H3,(H,21,26)