4-oxidanylidene-4-[4-(phenylsulfonyl)piperazin-1-yl]-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]butanamide

Systemtic Name: 4-oxidanylidene-4-[4-(phenylsulfonyl)piperazin-1-yl]-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]butanamide Openeye Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxo-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]butanamide CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-4-oxo-N-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]butanamide IUPAC Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxo-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]butanamide Traditional Name: 4-(4-besylpiperazino)-4-keto-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]butyramide Formula: C25H33N4O4S+ MolecularWeight: 485.61892

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)NC(=O)CCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)NC(=O)CCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H32N4O4S/c30-24(26-22-10-8-21(9-11-22)20-27-14-4-5-15-27)12-13-25(31)28-16-18-29(19-17-28)34(32,33)23-6-2-1-3-7-23/h1-3,6-11H,4-5,12-20H2,(H,26,30)/p+1