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

Systemtic Name: (E)-3-(1-thiophen-3-ylsulfonylindol-3-yl)-1-(3,3,5-trimethylazepan-1-yl)prop-2-en-1-one Openeye Name: (E)-3-[1-(3-thienylsulfonyl)indol-3-yl]-1-(3,3,5-trimethylazepan-1-yl)prop-2-en-1-one CAS Name: (E)-3-[1-(3-thiophenylsulfonyl)-3-indolyl]-1-(3,3,5-trimethyl-1-azepanyl)-2-propen-1-one IUPAC Name: (E)-3-(1-thiophen-3-ylsulfonylindol-3-yl)-1-(3,3,5-trimethylazepan-1-yl)prop-2-en-1-one Traditional Name: (E)-3-[1-(3-thienylsulfonyl)indol-3-yl]-1-(3,3,5-trimethylazepan-1-yl)prop-2-en-1-one Formula: C24H28N2O3S2 MolecularWeight: 456.62072

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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=CSC=C4

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O3S2/c1-18-10-12-25(17-24(2,3)14-18)23(27)9-8-19-15-26(22-7-5-4-6-21(19)22)31(28,29)20-11-13-30-16-20/h4-9,11,13,15-16,18H,10,12,14,17H2,1-3H3/b9-8+