1-(1-methylpyrrol-2-yl)-3-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-1-phenyl-propan-1-ol

Systemtic Name: 1-(1-methylpyrrol-2-yl)-3-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-1-phenyl-propan-1-ol Openeye Name: 1-(1-methylpyrrol-2-yl)-3-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-1-phenyl-propan-1-ol CAS Name: 1-(1-methyl-2-pyrrolyl)-3-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-1-phenyl-1-propanol IUPAC Name: 1-(1-methylpyrrol-2-yl)-3-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-1-phenylpropan-1-ol Traditional Name: 3-[4-(4-mesylbenzyl)-1,4-diazepan-1-yl]-1-(1-methylpyrrol-2-yl)-1-phenyl-propan-1-ol Formula: C27H35N3O3S MolecularWeight: 481.6501

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(CCN2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C)(C4=CC=CC=C4)O

Isomeric SMILES

CN1C=CC=C1C(CCN2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C)(C4=CC=CC=C4)O

InChI

InChI=1S/C27H35N3O3S/c1-28-16-6-10-26(28)27(31,24-8-4-3-5-9-24)15-19-29-17-7-18-30(21-20-29)22-23-11-13-25(14-12-23)34(2,32)33/h3-6,8-14,16,31H,7,15,17-22H2,1-2H3