(3-morpholin-4-ylsulfonylphenyl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-benzyl-1,4-diazepan-1-yl)-(3-morpholinosulfonylphenyl)methanone CAS Name: [3-(4-morpholinylsulfonyl)phenyl]-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-1-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone Traditional Name: (4-benzyl-1,4-diazepan-1-yl)-(3-morpholinosulfonylphenyl)methanone Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H29N3O4S/c27-23(25-11-5-10-24(12-13-25)19-20-6-2-1-3-7-20)21-8-4-9-22(18-21)31(28,29)26-14-16-30-17-15-26/h1-4,6-9,18H,5,10-17,19H2