N-[4-oxidanylidene-4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]butyl]naphthalene-2-sulfonamide

Systemtic Name: N-[4-oxidanylidene-4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]butyl]naphthalene-2-sulfonamide Openeye Name: N-[4-oxo-4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]butyl]naphthalene-2-sulfonamide CAS Name: N-[4-oxo-4-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]butyl]-2-naphthalenesulfonamide IUPAC Name: N-[4-oxo-4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]butyl]naphthalene-2-sulfonamide Traditional Name: N-[4-keto-4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]butyl]naphthalene-2-sulfonamide Formula: C26H32N3O4S+ MolecularWeight: 482.61498

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)CCCNS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)CCCNS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H31N3O4S/c30-26(29-17-15-28(16-18-29)19-20-33-24-9-2-1-3-10-24)11-6-14-27-34(31,32)25-13-12-22-7-4-5-8-23(22)21-25/h1-5,7-10,12-13,21,27H,6,11,14-20H2/p+1