2-[4-[4-[(4-methylphenyl)sulfonylamino]butanoylamino]piperidin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: 2-[4-[4-[(4-methylphenyl)sulfonylamino]butanoylamino]piperidin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: 2-[4-[4-(p-tolylsulfonylamino)butanoylamino]-1-piperidyl]ethyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid 2-[4-[[4-[(4-methylphenyl)sulfonylamino]-1-oxobutyl]amino]-1-piperidinyl]ethyl ester IUPAC Name: 2-[4-[4-[(4-methylphenyl)sulfonylamino]butanoylamino]piperidin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid 2-[4-[4-(tosylamino)butanoylamino]piperidino]ethyl ester Formula: C26H35ClN4O6S MolecularWeight: 567.0973

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCCC(=O)NC2CCN(CC2)CCOC(=O)C3=CC(=C(C=C3OC)N)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCCC(=O)NC2CCN(CC2)CCOC(=O)C3=CC(=C(C=C3OC)N)Cl

InChI

InChI=1S/C26H35ClN4O6S/c1-18-5-7-20(8-6-18)38(34,35)29-11-3-4-25(32)30-19-9-12-31(13-10-19)14-15-37-26(33)21-16-22(27)23(28)17-24(21)36-2/h5-8,16-17,19,29H,3-4,9-15,28H2,1-2H3,(H,30,32)