N-[4-(3-methylbutanoylamino)phenyl]-1-naphthalen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[4-(3-methylbutanoylamino)phenyl]-1-naphthalen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[4-(3-methylbutanoylamino)phenyl]-1-(2-naphthylsulfonyl)piperidine-4-carboxamide CAS Name: N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-1-(2-naphthalenylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[4-(3-methylbutanoylamino)phenyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[4-(isovalerylamino)phenyl]-1-(2-naphthylsulfonyl)isonipecotamide Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H31N3O4S/c1-19(2)17-26(31)28-23-8-10-24(11-9-23)29-27(32)21-13-15-30(16-14-21)35(33,34)25-12-7-20-5-3-4-6-22(20)18-25/h3-12,18-19,21H,13-17H2,1-2H3,(H,28,31)(H,29,32)