N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide

Systemtic Name: N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide Openeye Name: N-[1-(2-anilino-2-oxo-ethyl)piperidin-1-ium-4-yl]-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide CAS Name: N-[1-(2-anilino-2-oxoethyl)-4-piperidin-1-iumyl]-4-(1-pyrrolidinylsulfonyl)-1H-pyrrole-2-carboxamide IUPAC Name: N-[1-(2-anilino-2-oxoethyl)piperidin-1-ium-4-yl]-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide Traditional Name: N-[1-(2-anilino-2-keto-ethyl)piperidin-1-ium-4-yl]-4-pyrrolidinosulfonyl-1H-pyrrole-2-carboxamide Formula: C22H30N5O4S+ MolecularWeight: 460.5697

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O4S/c28-21(24-17-6-2-1-3-7-17)16-26-12-8-18(9-13-26)25-22(29)20-14-19(15-23-20)32(30,31)27-10-4-5-11-27/h1-3,6-7,14-15,18,23H,4-5,8-13,16H2,(H,24,28)(H,25,29)/p+1