5,6,7,8,9,10-hexahydrocyclohepta[b]indol-2-yl 4-methylbenzenesulfonate

Systemtic Name: 5,6,7,8,9,10-hexahydrocyclohepta[b]indol-2-yl 4-methylbenzenesulfonate Openeye Name: 5,6,7,8,9,10-hexahydrocyclohepta[b]indol-2-yl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 5,6,7,8,9,10-hexahydrocyclohepta[b]indol-2-yl ester IUPAC Name: 5,6,7,8,9,10-hexahydrocyclohepta[b]indol-2-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 5,6,7,8,9,10-hexahydrocyclohept[b]indol-2-yl ester Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)NC4=C3CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)NC4=C3CCCCC4

InChI

InChI=1S/C20H21NO3S/c1-14-7-10-16(11-8-14)25(22,23)24-15-9-12-20-18(13-15)17-5-3-2-4-6-19(17)21-20/h7-13,21H,2-6H2,1H3