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

Systemtic Name: 1,1-bis(1-methylpyrrol-2-yl)-3-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]propan-1-ol Openeye Name: 1,1-bis(1-methylpyrrol-2-yl)-3-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]propan-1-ol CAS Name: 1,1-bis(1-methyl-2-pyrrolyl)-3-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-1-propanol IUPAC Name: 1,1-bis(1-methylpyrrol-2-yl)-3-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]propan-1-ol Traditional Name: 3-[4-(4-mesylbenzyl)-1,4-diazepan-1-yl]-1,1-bis(1-methylpyrrol-2-yl)propan-1-ol Formula: C26H36N4O3S MolecularWeight: 484.65404

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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=CN4C)O

Isomeric SMILES

CN1C=CC=C1C(CCN2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C)(C4=CC=CN4C)O

InChI

InChI=1S/C26H36N4O3S/c1-27-14-4-7-24(27)26(31,25-8-5-15-28(25)2)13-18-29-16-6-17-30(20-19-29)21-22-9-11-23(12-10-22)34(3,32)33/h4-5,7-12,14-15,31H,6,13,16-21H2,1-3H3