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

Systemtic Name: [2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl] 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: [2-oxo-3-(1,3,3-trimethylindolin-2-ylidene)propyl] 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid [2-oxo-3-(1,3,3-trimethyl-2-indolylidene)propyl] ester IUPAC Name: [2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid [2-keto-3-(1,3,3-trimethylindolin-2-ylidene)propyl] ester Formula: C27H32N2O5S MolecularWeight: 496.61838

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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)S(=O)(=O)N4CCCCCC4)C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H32N2O5S/c1-27(2)23-10-6-7-11-24(23)28(3)25(27)18-21(30)19-34-26(31)20-12-14-22(15-13-20)35(32,33)29-16-8-4-5-9-17-29/h6-7,10-15,18H,4-5,8-9,16-17,19H2,1-3H3