[2-[(9-ethylcarbazol-3-yl)amino]-2-oxidanylidene-ethyl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate

Systemtic Name: [2-[(9-ethylcarbazol-3-yl)amino]-2-oxidanylidene-ethyl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: [2-[(9-ethylcarbazol-3-yl)amino]-2-oxo-ethyl] 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid [2-[(9-ethyl-3-carbazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid [2-[(9-ethylcarbazol-3-yl)amino]-2-keto-ethyl] ester Formula: C29H30ClN3O5S MolecularWeight: 568.0836

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)COC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCCCC4)C5=CC=CC=C51

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)COC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCCCC4)C5=CC=CC=C51

InChI

InChI=1S/C29H30ClN3O5S/c1-2-33-25-10-6-5-9-22(25)23-18-21(12-14-26(23)33)31-28(34)19-38-29(35)20-11-13-24(30)27(17-20)39(36,37)32-15-7-3-4-8-16-32/h5-6,9-14,17-18H,2-4,7-8,15-16,19H2,1H3,(H,31,34)