1-(azepan-1-yl)-4-(1-thiophen-2-ylsulfonylindol-3-yl)butan-1-one

Systemtic Name: 1-(azepan-1-yl)-4-(1-thiophen-2-ylsulfonylindol-3-yl)butan-1-one Openeye Name: 1-(azepan-1-yl)-4-[1-(2-thienylsulfonyl)indol-3-yl]butan-1-one CAS Name: 1-(1-azepanyl)-4-(1-thiophen-2-ylsulfonyl-3-indolyl)-1-butanone IUPAC Name: 1-(azepan-1-yl)-4-(1-thiophen-2-ylsulfonylindol-3-yl)butan-1-one Traditional Name: 1-(azepan-1-yl)-4-[1-(2-thienylsulfonyl)indol-3-yl]butan-1-one Formula: C22H26N2O3S2 MolecularWeight: 430.58344

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CCCC2=CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CCCN(CC1)C(=O)CCCC2=CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C22H26N2O3S2/c25-21(23-14-5-1-2-6-15-23)12-7-9-18-17-24(20-11-4-3-10-19(18)20)29(26,27)22-13-8-16-28-22/h3-4,8,10-11,13,16-17H,1-2,5-7,9,12,14-15H2