2-chloranyl-N-(diphenylmethyl)-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-methyl-benzamide

Systemtic Name: 2-chloranyl-N-(diphenylmethyl)-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-methyl-benzamide Openeye Name: N-benzhydryl-2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-methyl-benzamide CAS Name: 2-chloro-N-(diphenylmethyl)-5-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]-N-methylbenzamide IUPAC Name: N-benzhydryl-2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-methylbenzamide Traditional Name: N-benzhydryl-2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-methyl-benzamide Formula: C27H31ClN3O3S+ MolecularWeight: 513.07134

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N(C)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N(C)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H30ClN3O3S/c1-3-30-16-18-31(19-17-30)35(33,34)23-14-15-25(28)24(20-23)27(32)29(2)26(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-15,20,26H,3,16-19H2,1-2H3/p+1