N-(phenylmethyl)-2-[2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanoylamino]benzamide

Systemtic Name: N-(phenylmethyl)-2-[2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanoylamino]benzamide Openeye Name: 2-[[2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]acetyl]amino]-N-benzyl-benzamide CAS Name: 2-[[2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-N-(phenylmethyl)benzamide IUPAC Name: 2-[[2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]acetyl]amino]-N-benzylbenzamide Traditional Name: N-benzyl-2-[[2-(4-besylpiperazin-1-ium-1-yl)acetyl]amino]benzamide Formula: C26H29N4O4S+ MolecularWeight: 493.59786

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H28N4O4S/c31-25(20-29-15-17-30(18-16-29)35(33,34)22-11-5-2-6-12-22)28-24-14-8-7-13-23(24)26(32)27-19-21-9-3-1-4-10-21/h1-14H,15-20H2,(H,27,32)(H,28,31)/p+1