N,N-diethyl-4-(7-methylsulfonylspiro[4H-naphthalene-3,4'-azepane]-1-yl)benzamide

Systemtic Name: N,N-diethyl-4-(7-methylsulfonylspiro[4H-naphthalene-3,4'-azepane]-1-yl)benzamide Openeye Name: N,N-diethyl-4-(7-methylsulfonylspiro[4H-naphthalene-3,4'-azepane]-1-yl)benzamide CAS Name: N,N-diethyl-4-(7-methylsulfonyl-1-spiro[4H-naphthalene-3,4'-azepane]yl)benzamide IUPAC Name: N,N-diethyl-4-(7-methylsulfonylspiro[4H-naphthalene-3,4'-azepane]-1-yl)benzamide Traditional Name: N,N-diethyl-4-(7-mesylspiro[4H-naphthalene-3,4'-azepane]-1-yl)benzamide Formula: C27H34N2O3S MolecularWeight: 466.63546

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)C2=CC3(CCCNCC3)CC4=C2C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)C2=CC3(CCCNCC3)CC4=C2C=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C27H34N2O3S/c1-4-29(5-2)26(30)21-9-7-20(8-10-21)25-19-27(13-6-15-28-16-14-27)18-22-11-12-23(17-24(22)25)33(3,31)32/h7-12,17,19,28H,4-6,13-16,18H2,1-3H3