chloranyl 7-methyl-4-[3-(4-methylphenyl)sulfonyloxypropyl]-3-(phenylmethyl)-2,3a,4,5-tetrahydro-1H-pyrrolo[2,3-d]carbazole-6-carboxylate

Systemtic Name: chloranyl 7-methyl-4-[3-(4-methylphenyl)sulfonyloxypropyl]-3-(phenylmethyl)-2,3a,4,5-tetrahydro-1H-pyrrolo[2,3-d]carbazole-6-carboxylate Openeye Name: chloro 3-benzyl-7-methyl-4-[3-(p-tolylsulfonyloxy)propyl]-2,3a,4,5-tetrahydro-1H-pyrrolo[2,3-d]carbazole-6-carboxylate CAS Name: 7-methyl-4-[3-(4-methylphenyl)sulfonyloxypropyl]-3-(phenylmethyl)-2,3a,4,5-tetrahydro-1H-pyrrolo[2,3-d]carbazole-6-carboxylic acid chloro ester IUPAC Name: chloro 3-benzyl-7-methyl-4-[3-(4-methylphenyl)sulfonyloxypropyl]-2,3a,4,5-tetrahydro-1H-pyrrolo[2,3-d]carbazole-6-carboxylate Traditional Name: 3-benzyl-7-methyl-4-(3-tosyloxypropyl)-2,3a,4,5-tetrahydro-1H-pyrrolo[2,3-d]carbazole-6-carboxylic acid chloro ester Formula: C33H35ClN2O5S MolecularWeight: 607.1594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCC2CC(=C3C4(C2N(CC4)CC5=CC=CC=C5)C6=CC=CC=C6N3C)C(=O)OCl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCC2CC(=C3C4(C2N(CC4)CC5=CC=CC=C5)C6=CC=CC=C6N3C)C(=O)OCl

InChI

InChI=1S/C33H35ClN2O5S/c1-23-14-16-26(17-15-23)42(38,39)40-20-8-11-25-21-27(32(37)41-34)31-33(28-12-6-7-13-29(28)35(31)2)18-19-36(30(25)33)22-24-9-4-3-5-10-24/h3-7,9-10,12-17,25,30H,8,11,18-22H2,1-2H3