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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-[(2-nitrophenyl)amino]propanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(2-nitroanilino)propanamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-3-(2-nitroanilino)propanamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(2-nitroanilino)propanamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(2-nitroanilino)propionamide Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCNC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCNC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O5S/c26-21(12-13-22-19-10-3-4-11-20(19)25(27)28)23-17-8-7-9-18(16-17)31(29,30)24-14-5-1-2-6-15-24/h3-4,7-11,16,22H,1-2,5-6,12-15H2,(H,23,26)