(1-methylpyrrolidin-2-yl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: (1-methylpyrrolidin-2-yl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (1-methylpyrrolidin-2-yl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone CAS Name: (1-methyl-2-pyrrolidinyl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (1-methylpyrrolidin-2-yl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: [4-(4-mesylbenzyl)-1,4-diazepan-1-yl]-(1-methylpyrrolidin-2-yl)methanone Formula: C19H29N3O3S MolecularWeight: 379.51686

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CN1CCCC1C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C19H29N3O3S/c1-20-10-3-5-18(20)19(23)22-12-4-11-21(13-14-22)15-16-6-8-17(9-7-16)26(2,24)25/h6-9,18H,3-5,10-15H2,1-2H3