1-[4-[ethyl-[1-(4-methylsulfonylphenyl)propan-2-yl]amino]butyl]-4-pyridin-3-ylsulfonyl-1,4-diazepan-2-one

Systemtic Name: 1-[4-[ethyl-[1-(4-methylsulfonylphenyl)propan-2-yl]amino]butyl]-4-pyridin-3-ylsulfonyl-1,4-diazepan-2-one Openeye Name: 1-[4-[ethyl-[1-methyl-2-(4-methylsulfonylphenyl)ethyl]amino]butyl]-4-(3-pyridylsulfonyl)-1,4-diazepan-2-one CAS Name: 1-[4-[ethyl-[1-(4-methylsulfonylphenyl)propan-2-yl]amino]butyl]-4-(3-pyridinylsulfonyl)-1,4-diazepan-2-one IUPAC Name: 1-[4-[ethyl-[1-(4-methylsulfonylphenyl)propan-2-yl]amino]butyl]-4-pyridin-3-ylsulfonyl-1,4-diazepan-2-one Traditional Name: 1-[4-[ethyl-[2-(4-mesylphenyl)-1-methyl-ethyl]amino]butyl]-4-(3-pyridylsulfonyl)-1,4-diazepan-2-one Formula: C26H38N4O5S2 MolecularWeight: 550.73372

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCCN1CCCN(CC1=O)S(=O)(=O)C2=CN=CC=C2)C(C)CC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCN(CCCCN1CCCN(CC1=O)S(=O)(=O)C2=CN=CC=C2)C(C)CC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C26H38N4O5S2/c1-4-28(22(2)19-23-10-12-24(13-11-23)36(3,32)33)15-5-6-16-29-17-8-18-30(21-26(29)31)37(34,35)25-9-7-14-27-20-25/h7,9-14,20,22H,4-6,8,15-19,21H2,1-3H3