N-(3-cyclopentyloxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide

Systemtic Name: N-(3-cyclopentyloxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: N-[3-(cyclopentoxy)phenyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-(3-cyclopentyloxyphenyl)-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-(3-cyclopentyloxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: N-[3-(cyclopentoxy)phenyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C23H30N3O4S+ MolecularWeight: 444.567

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC(=CC=C3)OC4CCCC4

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC(=CC=C3)OC4CCCC4

InChI

InChI=1S/C23H29N3O4S/c1-25-12-14-26(15-13-25)31(28,29)22-11-4-6-18(16-22)23(27)24-19-7-5-10-21(17-19)30-20-8-2-3-9-20/h4-7,10-11,16-17,20H,2-3,8-9,12-15H2,1H3,(H,24,27)/p+1