N-(3-cyclopentyloxy-4-methoxy-phenyl)-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane-1-carboxamide

Systemtic Name: N-(3-cyclopentyloxy-4-methoxy-phenyl)-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane-1-carboxamide Openeye Name: N-[3-(cyclopentoxy)-4-methoxy-phenyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane-1-carboxamide CAS Name: N-(3-cyclopentyloxy-4-methoxyphenyl)-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(3-cyclopentyloxy-4-methoxyphenyl)-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane-1-carboxamide Traditional Name: N-[3-(cyclopentoxy)-4-methoxy-phenyl]-4-(4-mesylbenzyl)-1,4-diazepane-1-carboxamide Formula: C26H35N3O5S MolecularWeight: 501.6382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)N2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C)OC4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)N2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C)OC4CCCC4

InChI

InChI=1S/C26H35N3O5S/c1-33-24-13-10-21(18-25(24)34-22-6-3-4-7-22)27-26(30)29-15-5-14-28(16-17-29)19-20-8-11-23(12-9-20)35(2,31)32/h8-13,18,22H,3-7,14-17,19H2,1-2H3,(H,27,30)