1-phenyl-N-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylsulfonyl)phenyl]methyl]methanamine

Systemtic Name: 1-phenyl-N-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylsulfonyl)phenyl]methyl]methanamine Openeye Name: 1-phenyl-N-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylsulfonyl)phenyl]methyl]methanamine CAS Name: 1-phenyl-N-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylsulfonyl)phenyl]methyl]methanamine IUPAC Name: 1-phenyl-N-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylsulfonyl)phenyl]methyl]methanamine Traditional Name: benzyl-[4-(1,4,8,11-tetrazacyclotetradec-1-ylsulfonyl)benzyl]amine Formula: C24H37N5O2S MolecularWeight: 459.64788

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCNCCCN(CCNC1)S(=O)(=O)C2=CC=C(C=C2)CNCC3=CC=CC=C3

Isomeric SMILES

C1CNCCNCCCN(CCNC1)S(=O)(=O)C2=CC=C(C=C2)CNCC3=CC=CC=C3

InChI

InChI=1S/C24H37N5O2S/c30-32(31,29-18-5-14-26-16-15-25-12-4-13-27-17-19-29)24-10-8-23(9-11-24)21-28-20-22-6-2-1-3-7-22/h1-3,6-11,25-28H,4-5,12-21H2