(2-chloranyl-4-methylsulfonyl-phenyl)-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (2-chloranyl-4-methylsulfonyl-phenyl)-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (2-chloro-4-methylsulfonyl-phenyl)-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]methanone CAS Name: (2-chloro-4-methylsulfonylphenyl)-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (2-chloro-4-methylsulfonylphenyl)-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (2-chloro-4-mesyl-phenyl)-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]methanone Formula: C21H25ClN2O4S MolecularWeight: 436.9522

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)C(=O)N2CCCN(CC2)CCOC3=CC=CC=C3)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)C(=O)N2CCCN(CC2)CCOC3=CC=CC=C3)Cl

InChI

InChI=1S/C21H25ClN2O4S/c1-29(26,27)18-8-9-19(20(22)16-18)21(25)24-11-5-10-23(12-13-24)14-15-28-17-6-3-2-4-7-17/h2-4,6-9,16H,5,10-15H2,1H3