3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(1H-indol-3-yl)ethyl]propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(1H-indol-3-yl)ethyl]propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(1H-indol-3-yl)ethyl]propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-[2-(1H-indol-3-yl)ethyl]propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(1H-indol-3-yl)ethyl]propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(1H-indol-3-yl)ethyl]propionamide Formula: C25H31N3O3S MolecularWeight: 453.59694

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCCC3=CNC4=CC=CC=C43

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C25H31N3O3S/c29-25(26-16-15-21-19-27-24-8-4-3-7-23(21)24)14-11-20-9-12-22(13-10-20)32(30,31)28-17-5-1-2-6-18-28/h3-4,7-10,12-13,19,27H,1-2,5-6,11,14-18H2,(H,26,29)