N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-3-[4-(1-piperidylsulfonyl)phenyl]propanamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylphenyl]-3-[4-(1-piperidinylsulfonyl)phenyl]propanamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylphenyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-3-(4-piperidinosulfonylphenyl)propionamide Formula: C27H39N4O3S+ MolecularWeight: 499.68856

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)C

InChI

InChI=1S/C27H38N4O3S/c1-3-29-17-19-30(20-18-29)24-10-13-26(22(2)21-24)28-27(32)14-9-23-7-11-25(12-8-23)35(33,34)31-15-5-4-6-16-31/h7-8,10-13,21H,3-6,9,14-20H2,1-2H3,(H,28,32)/p+1