N-(2,3-dihydro-1H-inden-5-yl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide

Systemtic Name: N-(2,3-dihydro-1H-inden-5-yl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: N-indan-5-yl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-(2,3-dihydro-1H-inden-5-yl)-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-(2,3-dihydro-1H-inden-5-yl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: N-indan-5-yl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C21H26N3O3S+ MolecularWeight: 400.51444

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC4=C(CCC4)C=C3

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C21H25N3O3S/c1-23-10-12-24(13-11-23)28(26,27)20-7-3-6-18(15-20)21(25)22-19-9-8-16-4-2-5-17(16)14-19/h3,6-9,14-15H,2,4-5,10-13H2,1H3,(H,22,25)/p+1