tert-butyl 2-[4-(6-chloranylnaphthalen-2-yl)sulfonyl-7-oxidanylidene-1,4-diazepan-1-yl]-2-piperidin-4-yl-ethanoate

Systemtic Name: tert-butyl 2-[4-(6-chloranylnaphthalen-2-yl)sulfonyl-7-oxidanylidene-1,4-diazepan-1-yl]-2-piperidin-4-yl-ethanoate Openeye Name: tert-butyl 2-[4-[(6-chloro-2-naphthyl)sulfonyl]-7-oxo-1,4-diazepan-1-yl]-2-(4-piperidyl)acetate CAS Name: 2-[4-[(6-chloro-2-naphthalenyl)sulfonyl]-7-oxo-1,4-diazepan-1-yl]-2-(4-piperidinyl)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-(6-chloronaphthalen-2-yl)sulfonyl-7-oxo-1,4-diazepan-1-yl]-2-piperidin-4-ylacetate Traditional Name: 2-[4-[(6-chloro-2-naphthyl)sulfonyl]-7-keto-1,4-diazepan-1-yl]-2-(4-piperidyl)acetic acid tert-butyl ester Formula: C26H34ClN3O5S MolecularWeight: 536.08326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C1CCNCC1)N2CCN(CCC2=O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)OC(=O)C(C1CCNCC1)N2CCN(CCC2=O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

InChI

InChI=1S/C26H34ClN3O5S/c1-26(2,3)35-25(32)24(18-8-11-28-12-9-18)30-15-14-29(13-10-23(30)31)36(33,34)22-7-5-19-16-21(27)6-4-20(19)17-22/h4-7,16-18,24,28H,8-15H2,1-3H3