4-chloranyl-3-[(3S)-3-methylpiperidin-1-yl]sulfonyl-N-(3-nitrophenyl)benzamide

Systemtic Name: 4-chloranyl-3-[(3S)-3-methylpiperidin-1-yl]sulfonyl-N-(3-nitrophenyl)benzamide Openeye Name: 4-chloro-3-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-N-(3-nitrophenyl)benzamide CAS Name: 4-chloro-3-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-N-(3-nitrophenyl)benzamide IUPAC Name: 4-chloro-3-[(3S)-3-methylpiperidin-1-yl]sulfonyl-N-(3-nitrophenyl)benzamide Traditional Name: 4-chloro-3-[(3S)-3-methylpiperidino]sulfonyl-N-(3-nitrophenyl)benzamide Formula: C19H20ClN3O5S MolecularWeight: 437.8972

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H20ClN3O5S/c1-13-4-3-9-22(12-13)29(27,28)18-10-14(7-8-17(18)20)19(24)21-15-5-2-6-16(11-15)23(25)26/h2,5-8,10-11,13H,3-4,9,12H2,1H3,(H,21,24)/t13-/m0/s1