N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]-3-(phenylsulfonyl)propanamide

Systemtic Name: N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]-3-(phenylsulfonyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]propanamide CAS Name: 3-(benzenesulfonyl)-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]propanamide IUPAC Name: 3-(benzenesulfonyl)-N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]propanamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-3-besyl-propionamide Formula: C26H30N3O3S+ MolecularWeight: 464.5997

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)CCS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)CCS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H29N3O3S/c30-26(15-20-33(31,32)25-9-5-2-6-10-25)27-23-11-13-24(14-12-23)29-18-16-28(17-19-29)21-22-7-3-1-4-8-22/h1-14H,15-21H2,(H,27,30)/p+1