(2R)-N-(diphenylmethyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(diphenylmethyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-benzhydryl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(diphenylmethyl)-2-[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-benzhydryl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-benzhydryl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propionamide Formula: C27H32N3O4S+ MolecularWeight: 494.62568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

C[C@H](C(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H31N3O4S/c1-21(27(31)28-26(22-9-5-3-6-10-22)23-11-7-4-8-12-23)29-17-19-30(20-18-29)35(32,33)25-15-13-24(34-2)14-16-25/h3-16,21,26H,17-20H2,1-2H3,(H,28,31)/p+1/t21-/m1/s1