2-[5-(azepan-1-ylsulfonyl)indol-1-yl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)indol-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[5-(azepan-1-ylsulfonyl)indol-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[5-(1-azepanylsulfonyl)-1-indolyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)indol-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[5-(azepan-1-ylsulfonyl)indol-1-yl]-1-piperidino-ethanone Formula: C21H29N3O3S MolecularWeight: 403.53826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C=C3)CC(=O)N4CCCCC4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C=C3)CC(=O)N4CCCCC4

InChI

InChI=1S/C21H29N3O3S/c25-21(22-11-4-3-5-12-22)17-23-15-10-18-16-19(8-9-20(18)23)28(26,27)24-13-6-1-2-7-14-24/h8-10,15-16H,1-7,11-14,17H2