N-(4-methyl-1,3-benzothiazol-2-yl)-4-[(3R)-3-methylpiperidin-1-yl]-3-nitro-benzamide

Systemtic Name: N-(4-methyl-1,3-benzothiazol-2-yl)-4-[(3R)-3-methylpiperidin-1-yl]-3-nitro-benzamide Openeye Name: N-(4-methyl-1,3-benzothiazol-2-yl)-4-[(3R)-3-methyl-1-piperidyl]-3-nitro-benzamide CAS Name: N-(4-methyl-1,3-benzothiazol-2-yl)-4-[(3R)-3-methyl-1-piperidinyl]-3-nitrobenzamide IUPAC Name: N-(4-methyl-1,3-benzothiazol-2-yl)-4-[(3R)-3-methylpiperidin-1-yl]-3-nitrobenzamide Traditional Name: N-(4-methyl-1,3-benzothiazol-2-yl)-4-[(3R)-3-methylpiperidino]-3-nitro-benzamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC3=NC4=C(C=CC=C4S3)C)[N+](=O)[O-]

Isomeric SMILES

C[C@@H]1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC3=NC4=C(C=CC=C4S3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O3S/c1-13-5-4-10-24(12-13)16-9-8-15(11-17(16)25(27)28)20(26)23-21-22-19-14(2)6-3-7-18(19)29-21/h3,6-9,11,13H,4-5,10,12H2,1-2H3,(H,22,23,26)/t13-/m1/s1