[2-[(4-chlorophenyl)sulfonyl-methyl-amino]-1-phenyl-propyl] 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-[(4-chlorophenyl)sulfonyl-methyl-amino]-1-phenyl-propyl] 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-[(4-chlorophenyl)sulfonyl-methyl-amino]-1-phenyl-propyl] 4-chloro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-chloro-3-(1-piperidinylsulfonyl)benzoic acid [2-[(4-chlorophenyl)sulfonyl-methylamino]-1-phenylpropyl] ester IUPAC Name: [2-[(4-chlorophenyl)sulfonyl-methylamino]-1-phenylpropyl] 4-chloro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-piperidinosulfonyl-benzoic acid [2-[(4-chlorophenyl)sulfonyl-methyl-amino]-1-phenyl-propyl] ester Formula: C28H30Cl2N2O6S2 MolecularWeight: 625.5836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3)N(C)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C(C1=CC=CC=C1)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3)N(C)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C28H30Cl2N2O6S2/c1-20(31(2)39(34,35)24-14-12-23(29)13-15-24)27(21-9-5-3-6-10-21)38-28(33)22-11-16-25(30)26(19-22)40(36,37)32-17-7-4-8-18-32/h3,5-6,9-16,19-20,27H,4,7-8,17-18H2,1-2H3