4-[(phenylmethyl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyridin-1-ium-2-carboxamide

Systemtic Name: 4-[(phenylmethyl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyridin-1-ium-2-carboxamide Openeye Name: 4-(benzylamino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyridin-1-ium-2-carboxamide CAS Name: 4-[(phenylmethyl)amino]-N-[3-(1-pyrrolidinylsulfonyl)phenyl]-2-pyridin-1-iumcarboxamide IUPAC Name: 4-(benzylamino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyridin-1-ium-2-carboxamide Traditional Name: 4-(benzylamino)-N-(3-pyrrolidinosulfonylphenyl)pyridin-1-ium-2-carboxamide Formula: C23H25N4O3S+ MolecularWeight: 437.5346

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=[NH+]C=CC(=C3)NCC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=[NH+]C=CC(=C3)NCC4=CC=CC=C4

InChI

InChI=1S/C23H24N4O3S/c28-23(22-16-19(11-12-24-22)25-17-18-7-2-1-3-8-18)26-20-9-6-10-21(15-20)31(29,30)27-13-4-5-14-27/h1-3,6-12,15-16H,4-5,13-14,17H2,(H,24,25)(H,26,28)/p+1