N-(4-methyl-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide

Systemtic Name: N-(4-methyl-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide Openeye Name: N-(4-methyl-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide CAS Name: N-(4-methyl-1,3-benzothiazol-2-yl)-4-(1-pyrrolidinylsulfonyl)benzenesulfonamide IUPAC Name: N-(4-methyl-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide Traditional Name: N-(4-methyl-1,3-benzothiazol-2-yl)-4-pyrrolidinosulfonyl-benzenesulfonamide Formula: C18H19N3O4S3 MolecularWeight: 437.55616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C18H19N3O4S3/c1-13-5-4-6-16-17(13)19-18(26-16)20-27(22,23)14-7-9-15(10-8-14)28(24,25)21-11-2-3-12-21/h4-10H,2-3,11-12H2,1H3,(H,19,20)