N-[4-[4-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanamide

Systemtic Name: N-[4-[4-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanamide Openeye Name: N-[4-[4-[(4-benzyloxy-3-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]acetamide CAS Name: N-[4-[[4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-piperazin-4-iumyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-[4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]acetamide Traditional Name: N-[4-[4-(4-benzoxy-3-methoxy-benzyl)piperazin-4-ium-1-yl]sulfonylphenyl]acetamide Formula: C27H32N3O5S+ MolecularWeight: 510.62508

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OC

InChI

InChI=1S/C27H31N3O5S/c1-21(31)28-24-9-11-25(12-10-24)36(32,33)30-16-14-29(15-17-30)19-23-8-13-26(27(18-23)34-2)35-20-22-6-4-3-5-7-22/h3-13,18H,14-17,19-20H2,1-2H3,(H,28,31)/p+1