2-(1,3-benzothiazol-2-ylamino)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]propanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylamino)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]propanamide Openeye Name: 2-(1,3-benzothiazol-2-ylamino)-N-[[2-(1-piperidylsulfonyl)phenyl]methyl]propanamide CAS Name: 2-(1,3-benzothiazol-2-ylamino)-N-[[2-(1-piperidinylsulfonyl)phenyl]methyl]propanamide IUPAC Name: 2-(1,3-benzothiazol-2-ylamino)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]propanamide Traditional Name: 2-(1,3-benzothiazol-2-ylamino)-N-(2-piperidinosulfonylbenzyl)propionamide Formula: C22H26N4O3S2 MolecularWeight: 458.59684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1S(=O)(=O)N2CCCCC2)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1S(=O)(=O)N2CCCCC2)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H26N4O3S2/c1-16(24-22-25-18-10-4-5-11-19(18)30-22)21(27)23-15-17-9-3-6-12-20(17)31(28,29)26-13-7-2-8-14-26/h3-6,9-12,16H,2,7-8,13-15H2,1H3,(H,23,27)(H,24,25)