N-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyrrolidin-1-ylsulfonyl-thiophene-2-carboxamide

Systemtic Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyrrolidin-1-ylsulfonyl-thiophene-2-carboxamide Openeye Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyrrolidin-1-ylsulfonyl-thiophene-2-carboxamide CAS Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(1-pyrrolidinylsulfonyl)-2-thiophenecarboxamide IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide Traditional Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyrrolidinosulfonyl-thiophene-2-carboxamide Formula: C17H17N3O4S3 MolecularWeight: 423.52958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C=CS3)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C=CS3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C17H17N3O4S3/c1-24-11-4-5-12-13(10-11)26-17(18-12)19-16(21)15-14(6-9-25-15)27(22,23)20-7-2-3-8-20/h4-6,9-10H,2-3,7-8H2,1H3,(H,18,19,21)