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

Systemtic Name: N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[4-(methylsulfanylmethyl)thiazol-2-yl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[4-[(methylthio)methyl]-2-thiazolyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[4-[(methylthio)methyl]thiazol-2-yl]-4-pyrrolidinosulfonyl-benzamide Formula: C16H19N3O3S3 MolecularWeight: 397.53536

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CSC(=N1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CSCC1=CSC(=N1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C16H19N3O3S3/c1-23-10-13-11-24-16(17-13)18-15(20)12-4-6-14(7-5-12)25(21,22)19-8-2-3-9-19/h4-7,11H,2-3,8-10H2,1H3,(H,17,18,20)