1-(azepan-1-yl)-3-(1-thiophen-2-ylsulfonylindol-3-yl)propan-1-one

Systemtic Name: 1-(azepan-1-yl)-3-(1-thiophen-2-ylsulfonylindol-3-yl)propan-1-one Openeye Name: 1-(azepan-1-yl)-3-[1-(2-thienylsulfonyl)indol-3-yl]propan-1-one CAS Name: 1-(1-azepanyl)-3-(1-thiophen-2-ylsulfonyl-3-indolyl)-1-propanone IUPAC Name: 1-(azepan-1-yl)-3-(1-thiophen-2-ylsulfonylindol-3-yl)propan-1-one Traditional Name: 1-(azepan-1-yl)-3-[1-(2-thienylsulfonyl)indol-3-yl]propan-1-one Formula: C21H24N2O3S2 MolecularWeight: 416.55686

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CCC2=CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CCCN(CC1)C(=O)CCC2=CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H24N2O3S2/c24-20(22-13-5-1-2-6-14-22)12-11-17-16-23(19-9-4-3-8-18(17)19)28(25,26)21-10-7-15-27-21/h3-4,7-10,15-16H,1-2,5-6,11-14H2