N-(6-methyl-1,3-benzothiazol-2-yl)-4-[(3R)-3-methylpiperidin-1-yl]-3-nitro-benzamide

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-4-[(3R)-3-methylpiperidin-1-yl]-3-nitro-benzamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-4-[(3R)-3-methyl-1-piperidyl]-3-nitro-benzamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-4-[(3R)-3-methyl-1-piperidinyl]-3-nitrobenzamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-4-[(3R)-3-methylpiperidin-1-yl]-3-nitrobenzamide Traditional Name: N-(6-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(S3)C=C(C=C4)C)[N+](=O)[O-]

Isomeric SMILES

C[C@@H]1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O3S/c1-13-5-7-16-19(10-13)29-21(22-16)23-20(26)15-6-8-17(18(11-15)25(27)28)24-9-3-4-14(2)12-24/h5-8,10-11,14H,3-4,9,12H2,1-2H3,(H,22,23,26)/t14-/m1/s1