3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[2-[(2-nitrophenyl)amino]ethyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[2-[(2-nitrophenyl)amino]ethyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[2-(2-nitroanilino)ethyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-[2-(2-nitroanilino)ethyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[2-(2-nitroanilino)ethyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[2-(2-nitroanilino)ethyl]benzamide Formula: C21H25ClN4O5S MolecularWeight: 480.965

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCNC3=CC=CC=C3[N+](=O)[O-])Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCNC3=CC=CC=C3[N+](=O)[O-])Cl

InChI

InChI=1S/C21H25ClN4O5S/c22-17-10-9-16(15-20(17)32(30,31)25-13-5-1-2-6-14-25)21(27)24-12-11-23-18-7-3-4-8-19(18)26(28)29/h3-4,7-10,15,23H,1-2,5-6,11-14H2,(H,24,27)