N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[4-(4-methylthiazol-2-yl)sulfanylphenyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[4-[(4-methyl-2-thiazolyl)thio]phenyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[4-[(4-methylthiazol-2-yl)thio]phenyl]-4-pyrrolidinosulfonyl-benzamide Formula: C21H21N3O3S3 MolecularWeight: 459.60474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CSC(=N1)SC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H21N3O3S3/c1-15-14-28-21(22-15)29-18-8-6-17(7-9-18)23-20(25)16-4-10-19(11-5-16)30(26,27)24-12-2-3-13-24/h4-11,14H,2-3,12-13H2,1H3,(H,23,25)