2-[[3-(phenylsulfonyl)piperidin-3-yl]methylamino]-3-(4-piperazin-1-ylcarbonylphenyl)propanoic acid

Systemtic Name: 2-[[3-(phenylsulfonyl)piperidin-3-yl]methylamino]-3-(4-piperazin-1-ylcarbonylphenyl)propanoic acid Openeye Name: 2-[[3-(benzenesulfonyl)-3-piperidyl]methylamino]-3-[4-(piperazine-1-carbonyl)phenyl]propanoic acid CAS Name: 2-[[3-(benzenesulfonyl)-3-piperidinyl]methylamino]-3-[4-[oxo(1-piperazinyl)methyl]phenyl]propanoic acid IUPAC Name: 2-[[3-(benzenesulfonyl)piperidin-3-yl]methylamino]-3-[4-(piperazine-1-carbonyl)phenyl]propanoic acid Traditional Name: 2-[(3-besyl-3-piperidyl)methylamino]-3-[4-(piperazine-1-carbonyl)phenyl]propionic acid Formula: C26H34N4O5S MolecularWeight: 514.63696

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)(CNC(CC2=CC=C(C=C2)C(=O)N3CCNCC3)C(=O)O)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CC(CNC1)(CNC(CC2=CC=C(C=C2)C(=O)N3CCNCC3)C(=O)O)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H34N4O5S/c31-24(30-15-13-27-14-16-30)21-9-7-20(8-10-21)17-23(25(32)33)29-19-26(11-4-12-28-18-26)36(34,35)22-5-2-1-3-6-22/h1-3,5-10,23,27-29H,4,11-19H2,(H,32,33)