4-[4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propyl-amino]butyl]-3-oxidanylidene-piperazine-1-sulfonic acid

Systemtic Name: 4-[4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propyl-amino]butyl]-3-oxidanylidene-piperazine-1-sulfonic acid Openeye Name: 4-[4-[(7-methoxytetralin-2-yl)-propyl-amino]butyl]-3-oxo-piperazine-1-sulfonic acid CAS Name: 4-[4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]butyl]-3-oxo-1-piperazinesulfonic acid IUPAC Name: 4-[4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]butyl]-3-oxopiperazine-1-sulfonic acid Traditional Name: 3-keto-4-[4-[(7-methoxytetralin-2-yl)-propyl-amino]butyl]piperazine-1-sulfonic acid Formula: C22H35N3O5S MolecularWeight: 453.5954

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCCN1CCN(CC1=O)S(=O)(=O)O)C2CCC3=C(C2)C=C(C=C3)OC

Isomeric SMILES

CCCN(CCCCN1CCN(CC1=O)S(=O)(=O)O)C2CCC3=C(C2)C=C(C=C3)OC

InChI

InChI=1S/C22H35N3O5S/c1-3-10-23(20-8-6-18-7-9-21(30-2)16-19(18)15-20)11-4-5-12-24-13-14-25(17-22(24)26)31(27,28)29/h7,9,16,20H,3-6,8,10-15,17H2,1-2H3,(H,27,28,29)