N-(3-methyl-1,3-benzothiazol-2-ylidene)-4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-benzamide

Systemtic Name: N-(3-methyl-1,3-benzothiazol-2-ylidene)-4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-benzamide Openeye Name: N-(3-methyl-1,3-benzothiazol-2-ylidene)-4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]benzamide CAS Name: N-(3-methyl-1,3-benzothiazol-2-ylidene)-4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]benzamide IUPAC Name: N-(3-methyl-1,3-benzothiazol-2-ylidene)-4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide Traditional Name: N-(3-methyl-1,3-benzothiazol-2-ylidene)-4-[(3S)-3-methylpiperidino]sulfonyl-benzamide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=CC=CC=C4S3)C

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=CC=CC=C4S3)C

InChI

InChI=1S/C21H23N3O3S2/c1-15-6-5-13-24(14-15)29(26,27)17-11-9-16(10-12-17)20(25)22-21-23(2)18-7-3-4-8-19(18)28-21/h3-4,7-12,15H,5-6,13-14H2,1-2H3/t15-/m0/s1