1-[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]-2-(1,3,3-trimethylindol-2-ylidene)ethanone

Systemtic Name: 1-[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]-2-(1,3,3-trimethylindol-2-ylidene)ethanone Openeye Name: 1-[3-(azepan-1-ylsulfonyl)-4-chloro-phenyl]-2-(1,3,3-trimethylindolin-2-ylidene)ethanone CAS Name: 1-[3-(1-azepanylsulfonyl)-4-chlorophenyl]-2-(1,3,3-trimethyl-2-indolylidene)ethanone IUPAC Name: 1-[3-(azepan-1-ylsulfonyl)-4-chlorophenyl]-2-(1,3,3-trimethylindol-2-ylidene)ethanone Traditional Name: 1-[3-(azepan-1-ylsulfonyl)-4-chloro-phenyl]-2-(1,3,3-trimethylindolin-2-ylidene)ethanone Formula: C25H29ClN2O3S MolecularWeight: 473.02736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29ClN2O3S/c1-25(2)19-10-6-7-11-21(19)27(3)24(25)17-22(29)18-12-13-20(26)23(16-18)32(30,31)28-14-8-4-5-9-15-28/h6-7,10-13,16-17H,4-5,8-9,14-15H2,1-3H3