N-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-benzothiazole-6-carboxamide Openeye Name: N-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-benzothiazole-6-carboxamide CAS Name: N-[4-(1-pyrrolidinylsulfonyl)phenyl]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-benzothiazole-6-carboxamide Traditional Name: N-(4-pyrrolidinosulfonylphenyl)-1,3-benzothiazole-6-carboxamide Formula: C18H17N3O3S2 MolecularWeight: 387.47588

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C18H17N3O3S2/c22-18(13-3-8-16-17(11-13)25-12-19-16)20-14-4-6-15(7-5-14)26(23,24)21-9-1-2-10-21/h3-8,11-12H,1-2,9-10H2,(H,20,22)