4-(1,3-benzothiazol-2-yl)-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]butanamide

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]butanamide Openeye Name: 4-(1,3-benzothiazol-2-yl)-N-[(5-pyrrolidin-1-ylsulfonyl-2-thienyl)methyl]butanamide CAS Name: 4-(1,3-benzothiazol-2-yl)-N-[[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]methyl]butanamide IUPAC Name: 4-(1,3-benzothiazol-2-yl)-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]butanamide Traditional Name: 4-(1,3-benzothiazol-2-yl)-N-[(5-pyrrolidinosulfonyl-2-thienyl)methyl]butyramide Formula: C20H23N3O3S3 MolecularWeight: 449.60992

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(S2)CNC(=O)CCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(S2)CNC(=O)CCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H23N3O3S3/c24-18(8-5-9-19-22-16-6-1-2-7-17(16)28-19)21-14-15-10-11-20(27-15)29(25,26)23-12-3-4-13-23/h1-2,6-7,10-11H,3-5,8-9,12-14H2,(H,21,24)