N-(1,3-benzothiazol-2-ylmethyl)-2-methyl-5-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-2-methyl-5-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-2-methyl-5-(1-piperidylsulfonyl)benzamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-2-methyl-5-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-2-methyl-5-piperidinosulfonyl-benzamide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NCC3=NC4=CC=CC=C4S3

InChI

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