2-[(1-butan-2-ylbenzotriazol-5-yl)sulfonyl-methyl-amino]-N-(3-phenylpropyl)ethanamide

Systemtic Name: 2-[(1-butan-2-ylbenzotriazol-5-yl)sulfonyl-methyl-amino]-N-(3-phenylpropyl)ethanamide Openeye Name: 2-[methyl-(1-sec-butylbenzotriazol-5-yl)sulfonyl-amino]-N-(3-phenylpropyl)acetamide CAS Name: 2-[(1-butan-2-yl-5-benzotriazolyl)sulfonyl-methylamino]-N-(3-phenylpropyl)acetamide IUPAC Name: 2-[(1-butan-2-ylbenzotriazol-5-yl)sulfonyl-methylamino]-N-(3-phenylpropyl)acetamide Traditional Name: 2-[methyl-(1-sec-butylbenzotriazol-5-yl)sulfonyl-amino]-N-(3-phenylpropyl)acetamide Formula: C22H29N5O3S MolecularWeight: 443.56236

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C2=C(C=C(C=C2)S(=O)(=O)N(C)CC(=O)NCCCC3=CC=CC=C3)N=N1

Isomeric SMILES

CCC(C)N1C2=C(C=C(C=C2)S(=O)(=O)N(C)CC(=O)NCCCC3=CC=CC=C3)N=N1

InChI

InChI=1S/C22H29N5O3S/c1-4-17(2)27-21-13-12-19(15-20(21)24-25-27)31(29,30)26(3)16-22(28)23-14-8-11-18-9-6-5-7-10-18/h5-7,9-10,12-13,15,17H,4,8,11,14,16H2,1-3H3,(H,23,28)