[8-phenylmethoxy-9-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydrocarbazol-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [8-phenylmethoxy-9-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydrocarbazol-3-yl] 4-methylbenzenesulfonate Openeye Name: [8-benzyloxy-9-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydrocarbazol-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [8-phenylmethoxy-9-[2-(4-phenyl-1-piperazinyl)ethyl]-1,2,3,4-tetrahydrocarbazol-3-yl] ester IUPAC Name: [8-phenylmethoxy-9-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydrocarbazol-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [8-benzoxy-9-[2-(4-phenylpiperazino)ethyl]-1,2,3,4-tetrahydrocarbazol-3-yl] ester Formula: C38H41N3O4S MolecularWeight: 635.81484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCC3=C(C2)C4=C(N3CCN5CCN(CC5)C6=CC=CC=C6)C(=CC=C4)OCC7=CC=CC=C7

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CCC3=C(C2)C4=C(N3CCN5CCN(CC5)C6=CC=CC=C6)C(=CC=C4)OCC7=CC=CC=C7

InChI

InChI=1S/C38H41N3O4S/c1-29-15-18-33(19-16-29)46(42,43)45-32-17-20-36-35(27-32)34-13-8-14-37(44-28-30-9-4-2-5-10-30)38(34)41(36)26-23-39-21-24-40(25-22-39)31-11-6-3-7-12-31/h2-16,18-19,32H,17,20-28H2,1H3