N-[(1R,2S)-2-[4-(4-methylphenyl)carbonylpiperazin-1-ium-1-yl]-1,2-dihydroacenaphthylen-1-yl]benzenesulfonamide

Systemtic Name: N-[(1R,2S)-2-[4-(4-methylphenyl)carbonylpiperazin-1-ium-1-yl]-1,2-dihydroacenaphthylen-1-yl]benzenesulfonamide Openeye Name: N-[(1R,2S)-2-[4-(4-methylbenzoyl)piperazin-1-ium-1-yl]-1,2-dihydroacenaphthylen-1-yl]benzenesulfonamide CAS Name: N-[(1R,2S)-2-[4-[(4-methylphenyl)-oxomethyl]-1-piperazin-1-iumyl]-1,2-dihydroacenaphthylen-1-yl]benzenesulfonamide IUPAC Name: N-[(1R,2S)-2-[4-(4-methylbenzoyl)piperazin-1-ium-1-yl]-1,2-dihydroacenaphthylen-1-yl]benzenesulfonamide Traditional Name: N-[(1R,2S)-2-(4-p-toluoylpiperazin-1-ium-1-yl)acenaphthen-1-yl]benzenesulfonamide Formula: C30H30N3O3S+ MolecularWeight: 512.6425

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)C3C(C4=CC=CC5=C4C3=CC=C5)NS(=O)(=O)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)[C@@H]3[C@@H](C4=CC=CC5=C4C3=CC=C5)NS(=O)(=O)C6=CC=CC=C6

InChI

InChI=1S/C30H29N3O3S/c1-21-13-15-23(16-14-21)30(34)33-19-17-32(18-20-33)29-26-12-6-8-22-7-5-11-25(27(22)26)28(29)31-37(35,36)24-9-3-2-4-10-24/h2-16,28-29,31H,17-20H2,1H3/p+1/t28-,29+/m1/s1