N-cyclopropyl-2-[2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]ethanoylamino]benzamide

Systemtic Name: N-cyclopropyl-2-[2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]ethanoylamino]benzamide Openeye Name: N-cyclopropyl-2-[[2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)acetyl]amino]benzamide CAS Name: N-cyclopropyl-2-[[2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]benzamide IUPAC Name: N-cyclopropyl-2-[[2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Traditional Name: N-cyclopropyl-2-[[2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)acetyl]amino]benzamide Formula: C25H31N4O4S+ MolecularWeight: 483.60304

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC(=O)NC4=CC=CC=C4C(=O)NC5CC5

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC(=O)NC4=CC=CC=C4C(=O)NC5CC5

InChI

InChI=1S/C25H30N4O4S/c30-24(27-23-7-2-1-6-22(23)25(31)26-20-9-10-20)17-28-12-14-29(15-13-28)34(32,33)21-11-8-18-4-3-5-19(18)16-21/h1-2,6-8,11,16,20H,3-5,9-10,12-15,17H2,(H,26,31)(H,27,30)/p+1