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

Systemtic Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-benzamide Openeye Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]benzamide CAS Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]benzamide IUPAC Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide Traditional Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-4-[(3S)-3-methylpiperidino]sulfonyl-benzamide Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC4=C(C=CC=C4S3)OC

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC4=C(C=CC=C4S3)OC

InChI

InChI=1S/C21H23N3O4S2/c1-14-5-4-12-24(13-14)30(26,27)16-10-8-15(9-11-16)20(25)23-21-22-19-17(28-2)6-3-7-18(19)29-21/h3,6-11,14H,4-5,12-13H2,1-2H3,(H,22,23,25)/t14-/m0/s1