N-(6-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(6-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-benzyl-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-1-thiophen-2-ylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-benzyl-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide Traditional Name: N-benzyl-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide Formula: C24H22ClN3O3S3 MolecularWeight: 532.09778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1N=C(S2)N(CC3=CC=CC=C3)C(=O)C4CCCN4S(=O)(=O)C5=CC=CS5)Cl

Isomeric SMILES

CC1=CC(=CC2=C1N=C(S2)N(CC3=CC=CC=C3)C(=O)C4CCCN4S(=O)(=O)C5=CC=CS5)Cl

InChI

InChI=1S/C24H22ClN3O3S3/c1-16-13-18(25)14-20-22(16)26-24(33-20)27(15-17-7-3-2-4-8-17)23(29)19-9-5-11-28(19)34(30,31)21-10-6-12-32-21/h2-4,6-8,10,12-14,19H,5,9,11,15H2,1H3