N-(2-chloranyl-5-nitro-phenyl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propanamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propanamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]propanamide CAS Name: N-(2-chloro-5-nitrophenyl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propanamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propanamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-2-(4-tosyl-1,4-diazepan-1-yl)propionamide Formula: C21H25ClN4O5S MolecularWeight: 480.965

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H25ClN4O5S/c1-15-4-7-18(8-5-15)32(30,31)25-11-3-10-24(12-13-25)16(2)21(27)23-20-14-17(26(28)29)6-9-19(20)22/h4-9,14,16H,3,10-13H2,1-2H3,(H,23,27)