N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCNC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCNC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

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