3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[4-(phenylmethyl)-1,4-diazepan-1-yl]propan-1-one

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[4-(phenylmethyl)-1,4-diazepan-1-yl]propan-1-one Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-benzyl-1,4-diazepan-1-yl)propan-1-one CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-1-[4-(phenylmethyl)-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-benzyl-1,4-diazepan-1-yl)propan-1-one Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-benzyl-1,4-diazepan-1-yl)propan-1-one Formula: C27H37N3O3S MolecularWeight: 483.66598

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H37N3O3S/c31-27(29-18-8-17-28(21-22-29)23-25-9-4-3-5-10-25)16-13-24-11-14-26(15-12-24)34(32,33)30-19-6-1-2-7-20-30/h3-5,9-12,14-15H,1-2,6-8,13,16-23H2