1-chloranylheptadecan-3-one; 2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoic acid

Systemtic Name: 1-chloranylheptadecan-3-one; 2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoic acid Openeye Name: 1-chloroheptadecan-3-one; 3-phenyl-2-(p-tolylsulfonylamino)propanoic acid CAS Name: 1-chloro-3-heptadecanone; 2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid IUPAC Name: 1-chloroheptadecan-3-one; 2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid Traditional Name: 1-chloroheptadecan-3-one; 3-phenyl-2-(tosylamino)propionic acid Formula: C33H50ClNO5S MolecularWeight: 608.2718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(=O)CCCl.CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCC(=O)CCCl.CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C17H33ClO.C16H17NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(19)15-16-18;1-12-7-9-14(10-8-12)22(20,21)17-15(16(18)19)11-13-5-3-2-4-6-13/h2-16H2,1H3;2-10,15,17H,11H2,1H3,(H,18,19)