N-[(2S)-1-oxidanylidene-3-phenyl-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-yl]naphthalene-2-sulfonamide

Systemtic Name: N-[(2S)-1-oxidanylidene-3-phenyl-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-yl]naphthalene-2-sulfonamide Openeye Name: N-[(1S)-1-benzyl-2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]naphthalene-2-sulfonamide CAS Name: N-[(2S)-1-oxo-3-phenyl-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]propan-2-yl]-2-naphthalenesulfonamide IUPAC Name: N-[(2S)-1-(4-benzylpiperazin-4-ium-1-yl)-1-oxo-3-phenylpropan-2-yl]naphthalene-2-sulfonamide Traditional Name: N-[(1S)-1-benzyl-2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]naphthalene-2-sulfonamide Formula: C30H32N3O3S+ MolecularWeight: 514.65838

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C(CC3=CC=CC=C3)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)[C@H](CC3=CC=CC=C3)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C30H31N3O3S/c34-30(33-19-17-32(18-20-33)23-25-11-5-2-6-12-25)29(21-24-9-3-1-4-10-24)31-37(35,36)28-16-15-26-13-7-8-14-27(26)22-28/h1-16,22,29,31H,17-21,23H2/p+1/t29-/m0/s1