N-phenethyl-2-[4-[[1-(phenylsulfonyl)pyrrol-2-yl]methyl]-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-phenethyl-2-[4-[[1-(phenylsulfonyl)pyrrol-2-yl]methyl]-1,4-diazepan-1-yl]ethanamide Openeye Name: 2-[4-[[1-(benzenesulfonyl)pyrrol-2-yl]methyl]-1,4-diazepan-1-yl]-N-phenethyl-acetamide CAS Name: 2-[4-[[1-(benzenesulfonyl)-2-pyrrolyl]methyl]-1,4-diazepan-1-yl]-N-phenethylacetamide IUPAC Name: 2-[4-[[1-(benzenesulfonyl)pyrrol-2-yl]methyl]-1,4-diazepan-1-yl]-N-phenethylacetamide Traditional Name: 2-[4-[(1-besylpyrrol-2-yl)methyl]-1,4-diazepan-1-yl]-N-phenethyl-acetamide Formula: C26H32N4O3S MolecularWeight: 480.62228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC(=O)NCCC2=CC=CC=C2)CC3=CC=CN3S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)CC(=O)NCCC2=CC=CC=C2)CC3=CC=CN3S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H32N4O3S/c31-26(27-15-14-23-9-3-1-4-10-23)22-29-17-8-16-28(19-20-29)21-24-11-7-18-30(24)34(32,33)25-12-5-2-6-13-25/h1-7,9-13,18H,8,14-17,19-22H2,(H,27,31)