5-chloranyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-2,1-benzothiazole-3-carboxamide; methanol

Systemtic Name: 5-chloranyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-2,1-benzothiazole-3-carboxamide; methanol Openeye Name: 5-chloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)-2,1-benzothiazole-3-carboxamide; methanol CAS Name: 5-chloro-N-[4-(1-pyrrolidinylsulfonyl)phenyl]-2,1-benzothiazole-3-carboxamide; methanol IUPAC Name: 5-chloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)-2,1-benzothiazole-3-carboxamide; methanol Traditional Name: 5-chloro-N-(4-pyrrolidinosulfonylphenyl)-2,1-benzothiazole-3-carboxamide; methanol Formula: C19H20ClN3O4S2 MolecularWeight: 453.9628

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Descriptors Computed from Structure

Canonical SMILES:

CO.C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C4C=C(C=CC4=NS3)Cl

Isomeric SMILES

CO.C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C4C=C(C=CC4=NS3)Cl

InChI

InChI=1S/C18H16ClN3O3S2.CH4O/c19-12-3-8-16-15(11-12)17(26-21-16)18(23)20-13-4-6-14(7-5-13)27(24,25)22-9-1-2-10-22;1-2/h3-8,11H,1-2,9-10H2,(H,20,23);2H,1H3