2-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]ethanoylamino]benzamide

Systemtic Name: 2-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]ethanoylamino]benzamide Openeye Name: 2-[[2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide CAS Name: 2-[[2-[4-(1-azepanylsulfonyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]benzamide IUPAC Name: 2-[[2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Traditional Name: 2-[[2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Formula: C19H30N5O4S+ MolecularWeight: 424.5376

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3C(=O)N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3C(=O)N

InChI

InChI=1S/C19H29N5O4S/c20-19(26)16-7-3-4-8-17(16)21-18(25)15-22-11-13-24(14-12-22)29(27,28)23-9-5-1-2-6-10-23/h3-4,7-8H,1-2,5-6,9-15H2,(H2,20,26)(H,21,25)/p+1