4-chloranyl-3-(3-methylpiperidin-1-yl)sulfonyl-N-[2-[(4-nitrophenyl)amino]ethyl]benzamide

Systemtic Name: 4-chloranyl-3-(3-methylpiperidin-1-yl)sulfonyl-N-[2-[(4-nitrophenyl)amino]ethyl]benzamide Openeye Name: 4-chloro-3-[(3-methyl-1-piperidyl)sulfonyl]-N-[2-(4-nitroanilino)ethyl]benzamide CAS Name: 4-chloro-3-[(3-methyl-1-piperidinyl)sulfonyl]-N-[2-(4-nitroanilino)ethyl]benzamide IUPAC Name: 4-chloro-3-(3-methylpiperidin-1-yl)sulfonyl-N-[2-(4-nitroanilino)ethyl]benzamide Traditional Name: 4-chloro-3-(3-methylpiperidino)sulfonyl-N-[2-(4-nitroanilino)ethyl]benzamide Formula: C21H25ClN4O5S MolecularWeight: 480.965

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCNC3=CC=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCNC3=CC=C(C=C3)[N+](=O)[O-])Cl

InChI

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