N-(2-methoxy-5-nitro-phenyl)-4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-benzamide

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-benzamide Openeye Name: N-(2-methoxy-5-nitro-phenyl)-4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]benzamide CAS Name: N-(2-methoxy-5-nitrophenyl)-4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]benzamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide Traditional Name: N-(2-methoxy-5-nitro-phenyl)-4-[(3S)-3-methylpiperidino]sulfonyl-benzamide Formula: C20H23N3O6S MolecularWeight: 433.47812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O6S/c1-14-4-3-11-22(13-14)30(27,28)17-8-5-15(6-9-17)20(24)21-18-12-16(23(25)26)7-10-19(18)29-2/h5-10,12,14H,3-4,11,13H2,1-2H3,(H,21,24)/t14-/m0/s1