4-oxidanylidene-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-4-[4-(phenylsulfonyl)piperazin-1-yl]butanamide

Systemtic Name: 4-oxidanylidene-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-4-[4-(phenylsulfonyl)piperazin-1-yl]butanamide Openeye Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-4-oxo-butanamide CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-4-oxo-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]butanamide IUPAC Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-4-oxobutanamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-4-(4-besylpiperazino)-4-keto-butyramide Formula: C25H33N4O4S+ MolecularWeight: 485.61892

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C[C@H]1NC(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H32N4O4S/c30-24(26-22-13-14-27(20-22)19-21-7-3-1-4-8-21)11-12-25(31)28-15-17-29(18-16-28)34(32,33)23-9-5-2-6-10-23/h1-10,22H,11-20H2,(H,26,30)/p+1/t22-/m0/s1