cyclopropyl-[4-[3-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonylphenyl]carbonylpiperazin-1-yl]methanone

Systemtic Name: cyclopropyl-[4-[3-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonylphenyl]carbonylpiperazin-1-yl]methanone Openeye Name: [4-[3-(4-benzylpiperazin-4-ium-1-yl)sulfonylbenzoyl]piperazin-1-yl]-cyclopropyl-methanone CAS Name: cyclopropyl-[4-[oxo-[3-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]phenyl]methyl]-1-piperazinyl]methanone IUPAC Name: [4-[3-(4-benzylpiperazin-4-ium-1-yl)sulfonylbenzoyl]piperazin-1-yl]-cyclopropylmethanone Traditional Name: [4-[3-(4-benzylpiperazin-4-ium-1-yl)sulfonylbenzoyl]piperazino]-cyclopropyl-methanone Formula: C26H33N4O4S+ MolecularWeight: 497.62962

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CC1C(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C26H32N4O4S/c31-25(22-9-10-22)28-13-15-29(16-14-28)26(32)23-7-4-8-24(19-23)35(33,34)30-17-11-27(12-18-30)20-21-5-2-1-3-6-21/h1-8,19,22H,9-18,20H2/p+1