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

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1,3,3-trimethylindol-2-ylidene)ethanone Openeye Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1,3,3-trimethylindolin-2-ylidene)ethanone CAS Name: 1-[4-(1-azepanylsulfonyl)phenyl]-2-(1,3,3-trimethyl-2-indolylidene)ethanone IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1,3,3-trimethylindol-2-ylidene)ethanone Traditional Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1,3,3-trimethylindolin-2-ylidene)ethanone Formula: C25H30N2O3S MolecularWeight: 438.5823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O3S/c1-25(2)21-10-6-7-11-22(21)26(3)24(25)18-23(28)19-12-14-20(15-13-19)31(29,30)27-16-8-4-5-9-17-27/h6-7,10-15,18H,4-5,8-9,16-17H2,1-3H3