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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC4=C(C=CC=C4S3)OC

Isomeric SMILES

C[C@H]1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC4=C(C=CC=C4S3)OC

InChI

InChI=1S/C21H23N3O4S2/c1-14-6-3-4-13-24(14)30(26,27)16-11-9-15(10-12-16)20(25)23-21-22-19-17(28-2)7-5-8-18(19)29-21/h5,7-12,14H,3-4,6,13H2,1-2H3,(H,22,23,25)/t14-/m0/s1