3-butyl-2-chloranyl-N-methyl-5-(2-methylsulfinylphenyl)-4-piperidin-1-yl-naphthalene-1-carboxamide

Systemtic Name: 3-butyl-2-chloranyl-N-methyl-5-(2-methylsulfinylphenyl)-4-piperidin-1-yl-naphthalene-1-carboxamide Openeye Name: 3-butyl-2-chloro-N-methyl-5-(2-methylsulfinylphenyl)-4-(1-piperidyl)naphthalene-1-carboxamide CAS Name: 3-butyl-2-chloro-N-methyl-5-(2-methylsulfinylphenyl)-4-(1-piperidinyl)-1-naphthalenecarboxamide IUPAC Name: 3-butyl-2-chloro-N-methyl-5-(2-methylsulfinylphenyl)-4-piperidin-1-ylnaphthalene-1-carboxamide Traditional Name: 3-butyl-2-chloro-N-methyl-5-(2-methylsulfinylphenyl)-4-piperidino-1-naphthamide Formula: C28H33ClN2O2S MolecularWeight: 497.09182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(C=CC=C2C3=CC=CC=C3S(=O)C)C(=C1Cl)C(=O)NC)N4CCCCC4

Isomeric SMILES

CCCCC1=C(C2=C(C=CC=C2C3=CC=CC=C3S(=O)C)C(=C1Cl)C(=O)NC)N4CCCCC4

InChI

InChI=1S/C28H33ClN2O2S/c1-4-5-12-22-26(29)25(28(32)30-2)21-15-11-14-20(19-13-7-8-16-23(19)34(3)33)24(21)27(22)31-17-9-6-10-18-31/h7-8,11,13-16H,4-6,9-10,12,17-18H2,1-3H3,(H,30,32)