2-(aminocarbonylamino)-7-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]-4,4-diphenyl-heptane-2-sulfonic acid

Systemtic Name: 2-(aminocarbonylamino)-7-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]-4,4-diphenyl-heptane-2-sulfonic acid Openeye Name: 7-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]-4,4-diphenyl-2-ureido-heptane-2-sulfonic acid CAS Name: 2-(carbamoylamino)-7-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]-4,4-diphenyl-2-heptanesulfonic acid IUPAC Name: 2-(carbamoylamino)-7-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-4,4-diphenylheptane-2-sulfonic acid Traditional Name: 7-[4-(4-chlorophenyl)-4-hydroxy-piperidino]-4,4-diphenyl-2-ureido-heptane-2-sulfonic acid Formula: C31H38ClN3O5S MolecularWeight: 600.16852

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(CCCN1CCC(CC1)(C2=CC=C(C=C2)Cl)O)(C3=CC=CC=C3)C4=CC=CC=C4)(NC(=O)N)S(=O)(=O)O

Isomeric SMILES

CC(CC(CCCN1CCC(CC1)(C2=CC=C(C=C2)Cl)O)(C3=CC=CC=C3)C4=CC=CC=C4)(NC(=O)N)S(=O)(=O)O

InChI

InChI=1S/C31H38ClN3O5S/c1-29(34-28(33)36,41(38,39)40)23-30(24-9-4-2-5-10-24,25-11-6-3-7-12-25)17-8-20-35-21-18-31(37,19-22-35)26-13-15-27(32)16-14-26/h2-7,9-16,37H,8,17-23H2,1H3,(H3,33,34,36)(H,38,39,40)