N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-[(2-nitrophenyl)amino]propanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-[(2-nitrophenyl)amino]propanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(2-nitroanilino)propanamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-3-(2-nitroanilino)propanamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-(2-nitroanilino)propanamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(2-nitroanilino)propionamide Formula: C22H28N4O5S MolecularWeight: 460.54652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCNC2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCNC2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H28N4O5S/c1-17-10-11-18(16-21(17)32(30,31)25-14-6-2-3-7-15-25)24-22(27)12-13-23-19-8-4-5-9-20(19)26(28)29/h4-5,8-11,16,23H,2-3,6-7,12-15H2,1H3,(H,24,27)