N-cyclopropyl-2-[2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]ethanoylamino]benzamide

Systemtic Name: N-cyclopropyl-2-[2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]ethanoylamino]benzamide Openeye Name: N-cyclopropyl-2-[[2-(4-tetralin-6-ylsulfonylpiperazin-1-ium-1-yl)acetyl]amino]benzamide CAS Name: N-cyclopropyl-2-[[1-oxo-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1-piperazin-1-iumyl]ethyl]amino]benzamide IUPAC Name: N-cyclopropyl-2-[[2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Traditional Name: N-cyclopropyl-2-[[2-(4-tetralin-6-ylsulfonylpiperazin-1-ium-1-yl)acetyl]amino]benzamide Formula: C26H33N4O4S+ MolecularWeight: 497.62962

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CC[NH+](CC3)CC(=O)NC4=CC=CC=C4C(=O)NC5CC5

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CC[NH+](CC3)CC(=O)NC4=CC=CC=C4C(=O)NC5CC5

InChI

InChI=1S/C26H32N4O4S/c31-25(28-24-8-4-3-7-23(24)26(32)27-21-10-11-21)18-29-13-15-30(16-14-29)35(33,34)22-12-9-19-5-1-2-6-20(19)17-22/h3-4,7-9,12,17,21H,1-2,5-6,10-11,13-16,18H2,(H,27,32)(H,28,31)/p+1