1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-4-(3-methylsulfonylphenyl)sulfonyl-1,4-diazepane

Systemtic Name: 1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-4-(3-methylsulfonylphenyl)sulfonyl-1,4-diazepane Openeye Name: 1-[1-[(4-methoxyphenyl)methyl]-4-piperidyl]-4-(3-methylsulfonylphenyl)sulfonyl-1,4-diazepane CAS Name: 1-[1-[(4-methoxyphenyl)methyl]-4-piperidinyl]-4-(3-methylsulfonylphenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-4-(3-methylsulfonylphenyl)sulfonyl-1,4-diazepane Traditional Name: 1-(3-mesylphenyl)sulfonyl-4-(1-p-anisyl-4-piperidyl)-1,4-diazepane Formula: C25H35N3O5S2 MolecularWeight: 521.6925

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCC(CC2)N3CCCN(CC3)S(=O)(=O)C4=CC=CC(=C4)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCC(CC2)N3CCCN(CC3)S(=O)(=O)C4=CC=CC(=C4)S(=O)(=O)C

InChI

InChI=1S/C25H35N3O5S2/c1-33-23-9-7-21(8-10-23)20-26-15-11-22(12-16-26)27-13-4-14-28(18-17-27)35(31,32)25-6-3-5-24(19-25)34(2,29)30/h3,5-10,19,22H,4,11-18,20H2,1-2H3