(E)-3-(1-naphthalen-1-ylsulfonylindol-3-yl)-1-(3,3,5-trimethylazepan-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(1-naphthalen-1-ylsulfonylindol-3-yl)-1-(3,3,5-trimethylazepan-1-yl)prop-2-en-1-one Openeye Name: (E)-3-[1-(1-naphthylsulfonyl)indol-3-yl]-1-(3,3,5-trimethylazepan-1-yl)prop-2-en-1-one CAS Name: (E)-3-[1-(1-naphthalenylsulfonyl)-3-indolyl]-1-(3,3,5-trimethyl-1-azepanyl)-2-propen-1-one IUPAC Name: (E)-3-(1-naphthalen-1-ylsulfonylindol-3-yl)-1-(3,3,5-trimethylazepan-1-yl)prop-2-en-1-one Traditional Name: (E)-3-[1-(1-naphthylsulfonyl)indol-3-yl]-1-(3,3,5-trimethylazepan-1-yl)prop-2-en-1-one Formula: C30H32N2O3S MolecularWeight: 500.65168

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC(C1)(C)C)C(=O)C=CC2=CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC1CCN(CC(C1)(C)C)C(=O)/C=C/C2=CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C30H32N2O3S/c1-22-17-18-31(21-30(2,3)19-22)29(33)16-15-24-20-32(27-13-7-6-11-25(24)27)36(34,35)28-14-8-10-23-9-4-5-12-26(23)28/h4-16,20,22H,17-19,21H2,1-3H3/b16-15+