methyl 3-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]propanoate

Systemtic Name: methyl 3-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]propanoate Openeye Name: methyl 3-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]propanoate CAS Name: 3-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]propanoate Traditional Name: 3-[4-(4-mesylbenzyl)-1,4-diazepan-1-yl]propionic acid methyl ester Formula: C17H26N2O4S MolecularWeight: 354.46434

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1CCCN(CC1)CC2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

COC(=O)CCN1CCCN(CC1)CC2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C17H26N2O4S/c1-23-17(20)8-11-18-9-3-10-19(13-12-18)14-15-4-6-16(7-5-15)24(2,21)22/h4-7H,3,8-14H2,1-2H3