N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1-naphthalen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1-naphthalen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1-(2-naphthylsulfonyl)piperidine-4-carboxamide CAS Name: N-[2-methyl-5-[(2-methyl-1-oxopropyl)amino]phenyl]-1-(2-naphthalenylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[5-(isobutyrylamino)-2-methyl-phenyl]-1-(2-naphthylsulfonyl)isonipecotamide Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H31N3O4S/c1-18(2)26(31)28-23-10-8-19(3)25(17-23)29-27(32)21-12-14-30(15-13-21)35(33,34)24-11-9-20-6-4-5-7-22(20)16-24/h4-11,16-18,21H,12-15H2,1-3H3,(H,28,31)(H,29,32)