[2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate

Systemtic Name: [2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: [2-oxo-3-(1,3,3-trimethylindolin-2-ylidene)propyl] 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid [2-oxo-3-(1,3,3-trimethyl-2-indolylidene)propyl] ester IUPAC Name: [2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid [2-keto-3-(1,3,3-trimethylindolin-2-ylidene)propyl] ester Formula: C27H31ClN2O5S MolecularWeight: 531.06344

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2N(C1=CC(=O)COC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCCCC4)C)C

Isomeric SMILES

CC1(C2=CC=CC=C2N(C1=CC(=O)COC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCCCC4)C)C

InChI

InChI=1S/C27H31ClN2O5S/c1-27(2)21-10-6-7-11-23(21)29(3)25(27)17-20(31)18-35-26(32)19-12-13-22(28)24(16-19)36(33,34)30-14-8-4-5-9-15-30/h6-7,10-13,16-17H,4-5,8-9,14-15,18H2,1-3H3