4-azanyl-N-[(3R,4S)-1-butanoyl-3-methyl-piperidin-4-yl]naphthalene-1-sulfonamide

Systemtic Name: 4-azanyl-N-[(3R,4S)-1-butanoyl-3-methyl-piperidin-4-yl]naphthalene-1-sulfonamide Openeye Name: 4-amino-N-[(3R,4S)-1-butanoyl-3-methyl-4-piperidyl]naphthalene-1-sulfonamide CAS Name: 4-amino-N-[(3R,4S)-3-methyl-1-(1-oxobutyl)-4-piperidinyl]-1-naphthalenesulfonamide IUPAC Name: 4-amino-N-[(3R,4S)-1-butanoyl-3-methylpiperidin-4-yl]naphthalene-1-sulfonamide Traditional Name: 4-amino-N-[(3R,4S)-1-butyryl-3-methyl-4-piperidyl]naphthalene-1-sulfonamide Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCC(C(C1)C)NS(=O)(=O)C2=CC=C(C3=CC=CC=C32)N

Isomeric SMILES

CCCC(=O)N1CC[C@@H]([C@@H](C1)C)NS(=O)(=O)C2=CC=C(C3=CC=CC=C32)N

InChI

InChI=1S/C20H27N3O3S/c1-3-6-20(24)23-12-11-18(14(2)13-23)22-27(25,26)19-10-9-17(21)15-7-4-5-8-16(15)19/h4-5,7-10,14,18,22H,3,6,11-13,21H2,1-2H3/t14-,18+/m1/s1