N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[1-(2-anilino-2-oxo-ethyl)piperidin-1-ium-4-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[1-(2-anilino-2-oxoethyl)-4-piperidin-1-iumyl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[1-(2-anilino-2-oxoethyl)piperidin-1-ium-4-yl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[1-(2-anilino-2-keto-ethyl)piperidin-1-ium-4-yl]-3-pyrrolidinosulfonyl-benzamide Formula: C24H31N4O4S+ MolecularWeight: 471.59234

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3CC[NH+](CC3)CC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3CC[NH+](CC3)CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C24H30N4O4S/c29-23(25-20-8-2-1-3-9-20)18-27-15-11-21(12-16-27)26-24(30)19-7-6-10-22(17-19)33(31,32)28-13-4-5-14-28/h1-3,6-10,17,21H,4-5,11-16,18H2,(H,25,29)(H,26,30)/p+1