N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-(4-propan-2-ylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-(4-propan-2-ylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-(4-isopropylphenyl)sulfonyl-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]piperidine-4-carboxamide CAS Name: N-[2-methyl-4-(4-methyl-1-piperazin-4-iumyl)phenyl]-1-(4-propan-2-ylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-p-cumenylsulfonyl-isonipecotamide Formula: C27H39N4O3S+ MolecularWeight: 499.68856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C27H38N4O3S/c1-20(2)22-5-8-25(9-6-22)35(33,34)31-13-11-23(12-14-31)27(32)28-26-10-7-24(19-21(26)3)30-17-15-29(4)16-18-30/h5-10,19-20,23H,11-18H2,1-4H3,(H,28,32)/p+1