(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: (2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: [2-chloro-5-(1-piperidylsulfonyl)phenyl]-[4-(o-tolylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: [2-chloro-5-(1-piperidinylsulfonyl)phenyl]-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (2-chloro-5-piperidin-1-ylsulfonylphenyl)-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: (2-chloro-5-piperidinosulfonyl-phenyl)-[4-(2-methylbenzyl)-1,4-diazepan-1-yl]methanone Formula: C25H32ClN3O3S MolecularWeight: 490.05788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)Cl

Isomeric SMILES

CC1=CC=CC=C1CN2CCCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)Cl

InChI

InChI=1S/C25H32ClN3O3S/c1-20-8-3-4-9-21(20)19-27-12-7-13-28(17-16-27)25(30)23-18-22(10-11-24(23)26)33(31,32)29-14-5-2-6-15-29/h3-4,8-11,18H,2,5-7,12-17,19H2,1H3